(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine

C11H12F2N2 — CID 131447167

IUPAC(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
SMILESN[C@H](CC(F)F)c1ccc2cc[nH]c2c1
InChIInChI=1S/C11H12F2N2/c12-11(13)6-9(14)8-2-1-7-3-4-15-10(7)5-8/h1-5,9,11,15H,6,14H2/t9-/m1/s1
InChIKeyVGRVFEYCQYZQKR-SECBINFHSA-N
MW210.23 g/mol
LogP2.82
Rot. Bonds3

About (1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine

(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine (PubChem CID 131447167) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is (1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
PubChem CID131447167
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
SMILESN[C@H](CC(F)F)c1ccc2cc[nH]c2c1
InChIInChI=1S/C11H12F2N2/c12-11(13)6-9(14)8-2-1-7-3-4-15-10(7)5-8/h1-5,9,11,15H,6,14H2/t9-/m1/s1
InChIKeyVGRVFEYCQYZQKR-SECBINFHSA-N
XLogP2.82
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine?
The IUPAC name of (1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine (CID 131447167) is (1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine.
What is the SMILES notation for (1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine?
The canonical SMILES for (1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine is N[C@H](CC(F)F)c1ccc2cc[nH]c2c1.
What is the InChIKey of (1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine?
The InChIKey is VGRVFEYCQYZQKR-SECBINFHSA-N. The full InChI is InChI=1S/C11H12F2N2/c12-11(13)6-9(14)8-2-1-7-3-4-15-10(7)5-8/h1-5,9,11,15H,6,14H2/t9-/m1/s1.
What are the key properties of (1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine?
(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine has a molecular weight of 210.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine is sourced from PubChem (CID 131447167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).